tert-butyl N-[3-amino-1-(3-chlorophenyl)propyl]carbamate

C14H21ClN2O2 — CID 146479429

IUPACtert-butyl N-[3-amino-1-(3-chlorophenyl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CCN)c1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O2/c1-14(2,3)19-13(18)17-12(7-8-16)10-5-4-6-11(15)9-10/h4-6,9,12H,7-8,16H2,1-3H3,(H,17,18)
InChIKeyHZUVMQIHNXXXGQ-UHFFFAOYSA-N
MW284.79 g/mol
LogP3.25
Rot. Bonds4

About tert-butyl N-[3-amino-1-(3-chlorophenyl)propyl]carbamate

tert-butyl N-[3-amino-1-(3-chlorophenyl)propyl]carbamate (PubChem CID 146479429) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is tert-butyl N-[3-amino-1-(3-chlorophenyl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-amino-1-(3-chlorophenyl)propyl]carbamate
PubChem CID146479429
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Nametert-butyl N-[3-amino-1-(3-chlorophenyl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CCN)c1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O2/c1-14(2,3)19-13(18)17-12(7-8-16)10-5-4-6-11(15)9-10/h4-6,9,12H,7-8,16H2,1-3H3,(H,17,18)
InChIKeyHZUVMQIHNXXXGQ-UHFFFAOYSA-N
XLogP3.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-amino-1-(3-chlorophenyl)propyl]propanamide
CID 142183594
benzyl 3-(3-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 53416076
tert-butyl N-[1-[1-(3-chlorophenyl)propylamino]butan-2-yl]carbamate
CID 107250522
tert-butyl N-[(1S,2R)-2-(3-chlorophenyl)-1-(4-chlorophenyl)-2-hydroxyethyl]carbamate
CID 89490745
tert-butyl N-[(1S)-1-(3,4-dichlorophenyl)-3-hydroxypropyl]carbamate
CID 27281740
tert-butyl N-[3-amino-1-(5-chlorofuran-2-yl)propyl]carbamate
CID 83694071
tert-butyl N-[3-amino-4-(3-chlorophenyl)-4-hydroxybutyl]carbamate
CID 83924561
3-(3-chlorophenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 146289120
(2S,3S)-3-(3-chlorophenyl)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 7176486
tert-butyl N-[1-(4-chloro-2-fluorophenyl)-2-(3-chlorophenyl)-2-hydroxyethyl]carbamate
CID 123612353
methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoate
CID 56979796
ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoate
CID 121415297

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-amino-1-(3-chlorophenyl)propyl]carbamate?
The IUPAC name of tert-butyl N-[3-amino-1-(3-chlorophenyl)propyl]carbamate (CID 146479429) is tert-butyl N-[3-amino-1-(3-chlorophenyl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-amino-1-(3-chlorophenyl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-amino-1-(3-chlorophenyl)propyl]carbamate is CC(C)(C)OC(=O)NC(CCN)c1cccc(Cl)c1.
What is the InChIKey of tert-butyl N-[3-amino-1-(3-chlorophenyl)propyl]carbamate?
The InChIKey is HZUVMQIHNXXXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-14(2,3)19-13(18)17-12(7-8-16)10-5-4-6-11(15)9-10/h4-6,9,12H,7-8,16H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-[3-amino-1-(3-chlorophenyl)propyl]carbamate?
tert-butyl N-[3-amino-1-(3-chlorophenyl)propyl]carbamate has a molecular weight of 284.79 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-amino-1-(3-chlorophenyl)propyl]carbamate is sourced from PubChem (CID 146479429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).