N-benzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine

C13H19NO2 — CID 11042283

IUPACN-benzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine
SMILESCC1(C)OC[C@H](CNCc2ccccc2)O1
InChIInChI=1S/C13H19NO2/c1-13(2)15-10-12(16-13)9-14-8-11-6-4-3-5-7-11/h3-7,12,14H,8-10H2,1-2H3/t12-/m0/s1
InChIKeyMORYQQDCTDTLST-LBPRGKRZSA-N
MW221.30 g/mol
LogP1.93
Rot. Bonds4

About N-benzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine

N-benzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine (PubChem CID 11042283) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-benzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine.

Molecular Properties

Compound NameN-benzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine
PubChem CID11042283
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-benzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine
SMILESCC1(C)OC[C@H](CNCc2ccccc2)O1
InChIInChI=1S/C13H19NO2/c1-13(2)15-10-12(16-13)9-14-8-11-6-4-3-5-7-11/h3-7,12,14H,8-10H2,1-2H3/t12-/m0/s1
InChIKeyMORYQQDCTDTLST-LBPRGKRZSA-N
XLogP1.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2,2-diethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
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N-Benzyl-2,2-dimethoxyethan-1-amine
CID 276572
N-Benzyloxolan-3-amine
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Benzyl[2-(2-methoxyethoxy)ethyl]amine
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(5RS,6SR)-2,2-dimethyl-6-{[(1S)-1-phenylethyl]amino}-1,3-dioxepan-5-ol
CID 58158434
3-(4-tert-butylphenyl)-N-[[2-(methoxymethyl)-2-methyl-1,3-dioxolan-4-yl]methyl]-2-methyl-propan-1-amine
CID 487665
N-[(2,3-dimethylphenyl)methyl]-1-(1,4-dioxaspiro[4.4]nonan-3-yl)methanamine
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N-[(2,3-dimethylphenyl)methyl]-1-(1,4-dioxaspiro[4.5]decan-3-yl)methanamine
CID 75445606

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine?
The IUPAC name of N-benzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine (CID 11042283) is N-benzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine.
What is the SMILES notation for N-benzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine?
The canonical SMILES for N-benzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine is CC1(C)OC[C@H](CNCc2ccccc2)O1.
What is the InChIKey of N-benzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine?
The InChIKey is MORYQQDCTDTLST-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(2)15-10-12(16-13)9-14-8-11-6-4-3-5-7-11/h3-7,12,14H,8-10H2,1-2H3/t12-/m0/s1.
What are the key properties of N-benzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine?
N-benzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine has a molecular weight of 221.30 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine is sourced from PubChem (CID 11042283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).