2-[3-(2-aminopropyl)phenyl]ethylcarbamic acid

C12H18N2O2 — CID 66770095

IUPAC2-[3-(2-aminopropyl)phenyl]ethylcarbamic acid
SMILESCC(N)Cc1cccc(CCNC(=O)O)c1
InChIInChI=1S/C12H18N2O2/c1-9(13)7-11-4-2-3-10(8-11)5-6-14-12(15)16/h2-4,8-9,14H,5-7,13H2,1H3,(H,15,16)
InChIKeyDPGJQTOIEXLQCW-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.39
Rot. Bonds5

About 2-[3-(2-aminopropyl)phenyl]ethylcarbamic acid

2-[3-(2-aminopropyl)phenyl]ethylcarbamic acid (PubChem CID 66770095) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[3-(2-aminopropyl)phenyl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[3-(2-aminopropyl)phenyl]ethylcarbamic acid
PubChem CID66770095
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-[3-(2-aminopropyl)phenyl]ethylcarbamic acid
SMILESCC(N)Cc1cccc(CCNC(=O)O)c1
InChIInChI=1S/C12H18N2O2/c1-9(13)7-11-4-2-3-10(8-11)5-6-14-12(15)16/h2-4,8-9,14H,5-7,13H2,1H3,(H,15,16)
InChIKeyDPGJQTOIEXLQCW-UHFFFAOYSA-N
XLogP1.39
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-3-methyl-N-[2-(3-methylphenyl)ethyl]butanamide
CID 79013185
2-[3-[3-(hydroxymethyl)phenyl]phenyl]ethylcarbamic acid
CID 138678237
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
tris(2-aminoacetic acid);1-phenylpropan-2-amine
CID 66730614
2-[3-[(4-bromophenyl)methyl]phenyl]ethylcarbamic acid
CID 174162522
(2S)-2-amino-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 61145838
3-[3-(2-methoxy-2-phenylethyl)phenyl]propylcarbamic acid
CID 123547114
3-[2-[(2-amino-3-methylbutanoyl)amino]ethyl]benzoic acid
CID 63794615
molecular hydrogen;2-phenylethylcarbamic acid
CID 145072858
2-chloro-N-[2-(3-methylphenyl)ethyl]propanamide
CID 62314292
(2S)-2-amino-3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]butanamide
CID 62315395
2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylbutanamide
CID 43566282

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminopropyl)phenyl]ethylcarbamic acid?
The IUPAC name of 2-[3-(2-aminopropyl)phenyl]ethylcarbamic acid (CID 66770095) is 2-[3-(2-aminopropyl)phenyl]ethylcarbamic acid.
What is the SMILES notation for 2-[3-(2-aminopropyl)phenyl]ethylcarbamic acid?
The canonical SMILES for 2-[3-(2-aminopropyl)phenyl]ethylcarbamic acid is CC(N)Cc1cccc(CCNC(=O)O)c1.
What is the InChIKey of 2-[3-(2-aminopropyl)phenyl]ethylcarbamic acid?
The InChIKey is DPGJQTOIEXLQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(13)7-11-4-2-3-10(8-11)5-6-14-12(15)16/h2-4,8-9,14H,5-7,13H2,1H3,(H,15,16).
What are the key properties of 2-[3-(2-aminopropyl)phenyl]ethylcarbamic acid?
2-[3-(2-aminopropyl)phenyl]ethylcarbamic acid has a molecular weight of 222.29 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminopropyl)phenyl]ethylcarbamic acid is sourced from PubChem (CID 66770095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).