N-[3-(cyclopropylmethoxy)propyl]-3,4-dihydro-2H-chromen-4-amine

C16H23NO2 — CID 43206794

IUPACN-[3-(cyclopropylmethoxy)propyl]-3,4-dihydro-2H-chromen-4-amine
SMILESc1ccc2c(c1)OCCC2NCCCOCC1CC1
InChIInChI=1S/C16H23NO2/c1-2-5-16-14(4-1)15(8-11-19-16)17-9-3-10-18-12-13-6-7-13/h1-2,4-5,13,15,17H,3,6-12H2
InChIKeyFAGNBLBHNOCWIO-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.92
Rot. Bonds7

About N-[3-(cyclopropylmethoxy)propyl]-3,4-dihydro-2H-chromen-4-amine

N-[3-(cyclopropylmethoxy)propyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43206794) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)propyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)propyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID43206794
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC NameN-[3-(cyclopropylmethoxy)propyl]-3,4-dihydro-2H-chromen-4-amine
SMILESc1ccc2c(c1)OCCC2NCCCOCC1CC1
InChIInChI=1S/C16H23NO2/c1-2-5-16-14(4-1)15(8-11-19-16)17-9-3-10-18-12-13-6-7-13/h1-2,4-5,13,15,17H,3,6-12H2
InChIKeyFAGNBLBHNOCWIO-UHFFFAOYSA-N
XLogP2.92
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4R)-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine
CID 7287154
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43190759
N'-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-N'-methylethane-1,2-diamine
CID 62977569
(4S)-N-(3,3-dimethylbutyl)-3,4-dihydro-2H-chromen-4-amine
CID 94276035
N-[2-(3-methylphenoxy)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 60694297
N-[2-(3-bromophenoxy)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 60694319
N-(2-ethylsulfonylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 55063038
2-(3,4-dihydro-2H-chromen-4-ylamino)-N-(3-methoxypropyl)acetamide
CID 60693734
(4R)-N-iodo-3,4-dihydro-2H-chromen-4-amine
CID 163411426
N-[2-(cyclopropylmethoxy)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 103782741
2-(3,4-dihydro-2H-chromen-4-ylamino)acetonitrile
CID 62367299
N-[3-(cyclopropylmethoxy)propyl]-3-phenylcyclobutan-1-amine
CID 43632261

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-3,4-dihydro-2H-chromen-4-amine (CID 43206794) is N-[3-(cyclopropylmethoxy)propyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)propyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-[3-(cyclopropylmethoxy)propyl]-3,4-dihydro-2H-chromen-4-amine is c1ccc2c(c1)OCCC2NCCCOCC1CC1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)propyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is FAGNBLBHNOCWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-5-16-14(4-1)15(8-11-19-16)17-9-3-10-18-12-13-6-7-13/h1-2,4-5,13,15,17H,3,6-12H2.
What are the key properties of N-[3-(cyclopropylmethoxy)propyl]-3,4-dihydro-2H-chromen-4-amine?
N-[3-(cyclopropylmethoxy)propyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 261.36 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)propyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43206794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).