N-[1-(1-propoxynaphthalen-2-yl)ethyl]cyclopropanamine

C18H23NO — CID 43475308

IUPACN-[1-(1-propoxynaphthalen-2-yl)ethyl]cyclopropanamine
SMILESCCCOc1c(C(C)NC2CC2)ccc2ccccc12
InChIInChI=1S/C18H23NO/c1-3-12-20-18-16(13(2)19-15-9-10-15)11-8-14-6-4-5-7-17(14)18/h4-8,11,13,15,19H,3,9-10,12H2,1-2H3
InChIKeySXTOBPOJGHGNBT-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.44
Rot. Bonds6

About N-[1-(1-propoxynaphthalen-2-yl)ethyl]cyclopropanamine

N-[1-(1-propoxynaphthalen-2-yl)ethyl]cyclopropanamine (PubChem CID 43475308) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[1-(1-propoxynaphthalen-2-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[1-(1-propoxynaphthalen-2-yl)ethyl]cyclopropanamine
PubChem CID43475308
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[1-(1-propoxynaphthalen-2-yl)ethyl]cyclopropanamine
SMILESCCCOc1c(C(C)NC2CC2)ccc2ccccc12
InChIInChI=1S/C18H23NO/c1-3-12-20-18-16(13(2)19-15-9-10-15)11-8-14-6-4-5-7-17(14)18/h4-8,11,13,15,19H,3,9-10,12H2,1-2H3
InChIKeySXTOBPOJGHGNBT-UHFFFAOYSA-N
XLogP4.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[1-(2-methylpropoxy)naphthalen-2-yl]ethyl]cyclopropanamine
CID 43475302
N-[1-(1-but-2-ynoxynaphthalen-2-yl)ethyl]cyclopropanamine
CID 62311521
N-[1-[1-[(E)-3-chloroprop-2-enoxy]naphthalen-2-yl]ethyl]cyclopropanamine
CID 60888648
N-(1-naphthalen-1-ylethyl)cyclopropanamine
CID 16775384
molecular hydrogen;N-[(1R)-1-naphthalen-1-ylethyl]cyclohexanamine
CID 143807841
N-[1-[1-(2-methoxyethoxy)naphthalen-2-yl]ethyl]propan-1-amine
CID 43475279
N-[1-[1-(3-fluoropropoxy)naphthalen-2-yl]ethyl]propan-2-amine
CID 81107375
N-[3-(2-propoxyphenyl)butan-2-yl]cyclopropanamine
CID 104662486
N-(1-naphthalen-1-ylethyl)-1,1-dioxothian-4-amine
CID 43511636
1-[1-[2-(dimethylamino)ethoxy]naphthalen-2-yl]-N-methylethanamine
CID 43475222
2-[1-[(3-methoxycyclopentyl)amino]ethyl]naphthalen-1-ol
CID 103083012
1-[1-(2-ethylbutoxy)naphthalen-2-yl]-N-methylethanamine
CID 82926079

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-propoxynaphthalen-2-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[1-(1-propoxynaphthalen-2-yl)ethyl]cyclopropanamine (CID 43475308) is N-[1-(1-propoxynaphthalen-2-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[1-(1-propoxynaphthalen-2-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[1-(1-propoxynaphthalen-2-yl)ethyl]cyclopropanamine is CCCOc1c(C(C)NC2CC2)ccc2ccccc12.
What is the InChIKey of N-[1-(1-propoxynaphthalen-2-yl)ethyl]cyclopropanamine?
The InChIKey is SXTOBPOJGHGNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-12-20-18-16(13(2)19-15-9-10-15)11-8-14-6-4-5-7-17(14)18/h4-8,11,13,15,19H,3,9-10,12H2,1-2H3.
What are the key properties of N-[1-(1-propoxynaphthalen-2-yl)ethyl]cyclopropanamine?
N-[1-(1-propoxynaphthalen-2-yl)ethyl]cyclopropanamine has a molecular weight of 269.39 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-propoxynaphthalen-2-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 43475308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).