N-(morpholin-4-ylmethyl)naphthalen-1-amine;N-(morpholin-4-ylmethyl)naphthalen-2-amine

C30H36N4O2 — CID 54485022

IUPACN-(morpholin-4-ylmethyl)naphthalen-1-amine;N-(morpholin-4-ylmethyl)naphthalen-2-amine
SMILESc1ccc2c(NCN3CCOCC3)cccc2c1.c1ccc2cc(NCN3CCOCC3)ccc2c1
InChIInChI=1S/2C15H18N2O/c1-2-6-14-13(4-1)5-3-7-15(14)16-12-17-8-10-18-11-9-17;1-2-4-14-11-15(6-5-13(14)3-1)16-12-17-7-9-18-10-8-17/h1-7,16H,8-12H2;1-6,11,16H,7-10,12H2
InChIKeyXRRRBNQHAVLPND-UHFFFAOYSA-N
MW484.64 g/mol
LogP5.08
Rot. Bonds6

About N-(morpholin-4-ylmethyl)naphthalen-1-amine;N-(morpholin-4-ylmethyl)naphthalen-2-amine

N-(morpholin-4-ylmethyl)naphthalen-1-amine;N-(morpholin-4-ylmethyl)naphthalen-2-amine (PubChem CID 54485022) has the molecular formula C30H36N4O2 and a molecular weight of 484.64 g/mol. Its IUPAC name is N-(morpholin-4-ylmethyl)naphthalen-1-amine;N-(morpholin-4-ylmethyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-(morpholin-4-ylmethyl)naphthalen-1-amine;N-(morpholin-4-ylmethyl)naphthalen-2-amine
PubChem CID54485022
Molecular FormulaC30H36N4O2
Molecular Weight484.64 g/mol
Exact Mass484.28
IUPAC NameN-(morpholin-4-ylmethyl)naphthalen-1-amine;N-(morpholin-4-ylmethyl)naphthalen-2-amine
SMILESc1ccc2c(NCN3CCOCC3)cccc2c1.c1ccc2cc(NCN3CCOCC3)ccc2c1
InChIInChI=1S/2C15H18N2O/c1-2-6-14-13(4-1)5-3-7-15(14)16-12-17-8-10-18-11-9-17;1-2-4-14-11-15(6-5-13(14)3-1)16-12-17-7-9-18-10-8-17/h1-7,16H,8-12H2;1-6,11,16H,7-10,12H2
InChIKeyXRRRBNQHAVLPND-UHFFFAOYSA-N
XLogP5.08
TPSA49.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.64
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-naphthalen-2-ylmorpholin-4-amine
CID 69398473
3-morpholin-4-yl-N-[2-(naphthalen-1-ylamino)ethyl]propane-1-sulfonamide
CID 118724844
1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylthiourea
CID 2907680
N,N'-dinaphthalen-1-ylethane-1,2-diamine;dihydrochloride
CID 69046784
N-[4-(morpholin-4-ylmethyl)phenyl]-2-naphthalen-2-ylquinolin-4-amine
CID 100970631
2-[6-[2-(1,4-oxazepan-4-yl)ethylamino]naphthalen-2-yl]benzonitrile
CID 123577017
3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one
CID 2807050
N-[4-(morpholine-4-carbonyl)phenyl]-2-(naphthalen-2-ylamino)acetamide
CID 54839830
2-morpholin-4-yl-N-[(1R)-1-naphthalen-2-ylethyl]acetamide
CID 8903869
N-[[6-[(naphthalen-2-ylamino)methyl]-2-pyridinyl]methyl]naphthalen-2-amine
CID 21130226
N-naphthalen-1-ylphenanthren-2-amine
CID 139983977
phenanthren-3-yl 2-morpholin-4-ylacetate
CID 150233502

Frequently Asked Questions

What is the IUPAC name of N-(morpholin-4-ylmethyl)naphthalen-1-amine;N-(morpholin-4-ylmethyl)naphthalen-2-amine?
The IUPAC name of N-(morpholin-4-ylmethyl)naphthalen-1-amine;N-(morpholin-4-ylmethyl)naphthalen-2-amine (CID 54485022) is N-(morpholin-4-ylmethyl)naphthalen-1-amine;N-(morpholin-4-ylmethyl)naphthalen-2-amine.
What is the SMILES notation for N-(morpholin-4-ylmethyl)naphthalen-1-amine;N-(morpholin-4-ylmethyl)naphthalen-2-amine?
The canonical SMILES for N-(morpholin-4-ylmethyl)naphthalen-1-amine;N-(morpholin-4-ylmethyl)naphthalen-2-amine is c1ccc2c(NCN3CCOCC3)cccc2c1.c1ccc2cc(NCN3CCOCC3)ccc2c1.
What is the InChIKey of N-(morpholin-4-ylmethyl)naphthalen-1-amine;N-(morpholin-4-ylmethyl)naphthalen-2-amine?
The InChIKey is XRRRBNQHAVLPND-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H18N2O/c1-2-6-14-13(4-1)5-3-7-15(14)16-12-17-8-10-18-11-9-17;1-2-4-14-11-15(6-5-13(14)3-1)16-12-17-7-9-18-10-8-17/h1-7,16H,8-12H2;1-6,11,16H,7-10,12H2.
What are the key properties of N-(morpholin-4-ylmethyl)naphthalen-1-amine;N-(morpholin-4-ylmethyl)naphthalen-2-amine?
N-(morpholin-4-ylmethyl)naphthalen-1-amine;N-(morpholin-4-ylmethyl)naphthalen-2-amine has a molecular weight of 484.64 g/mol, XLogP of 5.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(morpholin-4-ylmethyl)naphthalen-1-amine;N-(morpholin-4-ylmethyl)naphthalen-2-amine is sourced from PubChem (CID 54485022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).